CID 1391281

2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(3,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C22H14ClF2N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H14ClF2N3O2S/c23-13-5-8-15(9-6-13)28-21(30)16-3-1-2-4-19(16)27-22(28)31-12-20(29)26-14-7-10-17(24)18(25)11-14/h1-11H,12H2,(H,26,29)
InChIKey
TVFYVAIAGVMNTB-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.04633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.05361 200.3
[M+Na]+ 480.03555 216.0
[M+NH4]+ 475.08015 206.5
[M+K]+ 496.00949 204.9
[M-H]- 456.03905 204.1
[M+Na-2H]- 478.02100 208.8
[M]+ 457.04578 204.3
[M]- 457.04688 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.